[2-[2-(6-methoxynaphthalen-1-yl)propanoylamino]-1-oxidanyl-1-phosphono-butyl]phosphonic acid

Systemtic Name: [2-[2-(6-methoxynaphthalen-1-yl)propanoylamino]-1-oxidanyl-1-phosphono-butyl]phosphonic acid Openeye Name: [1-hydroxy-2-[2-(6-methoxy-1-naphthyl)propanoylamino]-1-phosphono-butyl]phosphonic acid CAS Name: [1-hydroxy-2-[[2-(6-methoxy-1-naphthalenyl)-1-oxopropyl]amino]-1-phosphonobutyl]phosphonic acid IUPAC Name: [1-hydroxy-2-[2-(6-methoxynaphthalen-1-yl)propanoylamino]-1-phosphonobutyl]phosphonic acid Traditional Name: [1-hydroxy-2-[2-(6-methoxy-1-naphthyl)propanoylamino]-1-phosphono-butyl]phosphonic acid Formula: C18H25NO9P2 MolecularWeight: 461.339922

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(O)(P(=O)(O)O)P(=O)(O)O)NC(=O)C(C)C1=CC=CC2=C1C=CC(=C2)OC

Isomeric SMILES

CCC(C(O)(P(=O)(O)O)P(=O)(O)O)NC(=O)C(C)C1=CC=CC2=C1C=CC(=C2)OC

InChI

InChI=1S/C18H25NO9P2/c1-4-16(18(21,29(22,23)24)30(25,26)27)19-17(20)11(2)14-7-5-6-12-10-13(28-3)8-9-15(12)14/h5-11,16,21H,4H2,1-3H3,(H,19,20)(H2,22,23,24)(H2,25,26,27)